Details of the Drug

General Information of Drug (ID: DM8U3R6)

Drug Name

PROXODOLOL

Synonyms

Rac-5-[2-(3-tert-Butylamino-2-hydroxypropoxy)phenoxymethyl]-3-methyl-1,2,4-oxadiazole hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

387.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C17H26ClN3O5
IUPAC Name: 1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1OCC2=NC(=NO2)OC)O.Cl
InChI: InChI=1S/C17H25N3O5.ClH/c1-17(2,3)18-9-12(21)10-23-13-7-5-6-8-14(13)24-11-15-19-16(22-4)20-25-15;/h5-8,12,18,21H,9-11H2,1-4H3;1H
InChIKey: IQEOUWNTUSFDSZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Glaucoma/ocular hypertension

ICD Disease Classification

9C61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

Molecular Expression Atlas (MEA)

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009043)
2	The efficacy of proxodolol, a new beta-adrenoblockader with alpha-adrenoblockader properties, in its single use in patients with stable stenocardia of effort. Eksp Klin Farmakol. 1994 May-Jun;57(3):47-50.